ethyl (4S)-4-ethyl-6-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]oxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-6-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]oxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[(E)-3-(3-methyl-2-thienyl)acryloyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C=CC2=C(C=CS2)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)/C=C/C2=C(C=CS2)C)C(=O)OCC

InChI

InChI=1S/C18H22N2O5S/c1-4-12-16(17(22)24-5-2)13(20-18(23)19-12)10-25-15(21)7-6-14-11(3)8-9-26-14/h6-9,12H,4-5,10H2,1-3H3,(H2,19,20,23)/b7-6+/t12-/m0/s1